REMARK  Name = BDB003351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.533  -0.852  -0.664  0.00  0.00    +0.285 A 
ATOM      2  O   LIG    1       -0.699  -1.259  -0.226  0.00  0.00    -0.411 OA
ATOM      3  C   LIG    1       -1.469  -0.151  -0.466  0.00  0.00    +0.249 A 
ATOM      4  N   LIG    1       -0.781   0.830  -1.016  0.00  0.00    -0.106 NA
ATOM      5  N   LIG    1        0.512   0.374  -1.150  0.00  0.00    -0.100 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.878  -0.220  -0.101  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -3.437  -1.363   0.491  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -4.793  -1.401   0.831  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.606  -0.297   0.584  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.066   0.846  -0.002  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.712   0.884  -0.342  0.00  0.00    +0.013 A 
ENDBRANCH   3   6
BRANCH   1  12
ATOM     12  S   LIG    1        1.932  -1.881  -0.640  0.00  0.00    +0.010 S 
BRANCH  12  15
ATOM     13  C   LIG    1        3.553   0.454  -2.326  0.00  0.00    +0.175 C 
ATOM     14  N   LIG    1        3.686   0.224  -0.909  0.00  0.00    -0.241 N 
ATOM     15  C   LIG    1        3.064  -0.692  -0.101  0.00  0.00    +0.197 A 
ATOM     16  N   LIG    1        3.486  -0.565   1.137  0.00  0.00    -0.180 NA
ATOM     17  C   LIG    1        4.372   0.481   1.038  0.00  0.00    +0.329 A 
ATOM     18  N   LIG    1        4.538   0.994  -0.194  0.00  0.00    -0.125 NA
BRANCH  17  19
ATOM     19  N   LIG    1        5.106   1.002   2.184  0.00  0.00    +0.096 N 
ATOM     20  O   LIG    1        4.879   0.474   3.284  0.00  0.00    -0.123 OA
ATOM     21  O   LIG    1        5.906   1.931   1.992  0.00  0.00    -0.123 OA
ENDBRANCH  17  19
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 4